SCHEMBL2563438

SCHEMBL2563438

COC(=O)C1=C(C(=O)OC)SC(=C2Sc3cn(S(=O)(=O)c4ccc(C)cc4)cc3S2)S1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.44
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
KMT2A Q03164 3/20 0.38
MAPK1 P28482 2/20 0.38
MEN1 O00255 2/20 0.38
CYP2C9 P11712 2/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MMP2 P08253 2/20 0.38
ANPEP P15144 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
TSHR P16473 2/20 0.37
ALDH1A1 P00352 1/20 0.37
GRM4 Q14833 1/20 0.37
GLA P06280 1/20 0.36
TCF4 P15884 1/20 0.36
CTNNB1 P35222 1/20 0.36
KDM4E B2RXH2 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14866119 0.94 FBP1 (0.41) FBP1CA1CA2KMT2AMAPK1
SCHEMBL12959670 0.78 CA1 (0.47) CA1CA2KMT2AMEN1MMP2
SCHEMBL21807392 0.78 FBP1 (0.53) FBP1CA1CA2KMT2AMAPK1
SCHEMBL21875183 0.74 FBP1 (0.49) FBP1CA1CA2KMT2AMAPK1
SCHEMBL12958759 0.73 CA1 (0.45) CA1CA2KMT2AMEN1MAPT
SCHEMBL4501807 0.71 FBP1 (0.60) FBP1CA1CA2MAPK1CYP2C9
SCHEMBL10125216 0.69 POLB (0.45) FBP1KMT2AMAPK1MEN1CYP2C9
SCHEMBL14865979 0.68 RABGGTB (0.38) CA1CA2KMT2AMEN1CYP2C9
SCHEMBL10842949 0.68 NPSR1 (0.42) CA1CA2KMT2AMAPK1MEN1
SCHEMBL31728066 0.67 LMNA (0.64) CA1CA2KMT2AMEN1CYP2C9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9671392-B2 Multisensor array for detection of analytes or mixtures thereof in gas or liquid phase DANMARKS TEKNISKE UNIVERSITET (DK) 2017-06-06 US disclosed
US-9671392-B2 Multisensor array for detection of analytes or mixtures thereof in gas or liquid phase DANMARKS TEKNISKE UNIVERSITET (DK) 2017-06-06 US disclosed
US-9671392-B2 Multisensor array for detection of analytes or mixtures thereof in gas or liquid phase DANMARKS TEKNISKE UNIVERSITET (DK) 2017-06-06 US disclosed
US-20130096030-A1 MULTISENSOR ARRAY FOR DETECTION OF ANALYTES OR MIXTURES THEREOF IN GAS OR LIQUID PHASE SYDDANSK UNIVERSITET (DK) 2013-04-18 US disclosed
US-20130096030-A1 MULTISENSOR ARRAY FOR DETECTION OF ANALYTES OR MIXTURES THEREOF IN GAS OR LIQUID PHASE SYDDANSK UNIVERSITET (DK) 2013-04-18 US disclosed
US-20130096030-A1 MULTISENSOR ARRAY FOR DETECTION OF ANALYTES OR MIXTURES THEREOF IN GAS OR LIQUID PHASE SYDDANSK UNIVERSITET (DK) 2013-04-18 US disclosed
EP-2553443-A1 MULTISENSOR ARRAY FOR DETECTION OF ANALYTES OR MIXTURES THEREOF IN GAS OR LIQUID PHASE Danmarks Tekniske Universitet (DK) 2013-02-06 EP disclosed
WO-2011121077-A1 MULTISENSOR ARRAY FOR DETECTION OF ANALYTES OR MIXTURES THEREOF IN GAS OR LIQUID PHASE DANMARKS TEKNISKE UNIVERSITET (DK) 2011-10-06 WO disclosed
WO-2011121077-A1 MULTISENSOR ARRAY FOR DETECTION OF ANALYTES OR MIXTURES THEREOF IN GAS OR LIQUID PHASE DANMARKS TEKNISKE UNIVERSITET (DK) 2011-10-06 WO disclosed